CID 24035

Ucb 4268

Structural Information

Molecular Formula

C₁₆H₂₆N₂

SMILES

CC(CNC)CN1CCCCCC2=CC=CC=C21

InChI

InChI=1S/C16H26N2/c1-14(12-17-2)13-18-11-7-3-4-8-15-9-5-6-10-16(15)18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3

InChIKey

OAQMWZHBXYUKEA-UHFFFAOYSA-N

Compound name

N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.2096 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.216876	159.2
[M+Na]+	269.198818	162.6
[M-H]-	245.202324	160.2
[M+NH4]+	264.243423	166.8
[M+K]+	285.172758	162.0
[M+H-H2O]+	229.206860	154.7
[M+HCOO]-	291.207801	167.0
[M+CH3COO]-	305.223451	229.3
[M+Na-2H]-	267.184266	159.0
[M]+	246.20905142	157.6
[M]-	246.21014858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe